SCHEMBL30445846

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.60

Predicted protein targets (top 7)

	gene	UniProt	supporting neighbours	confidence
▸	BACE1	P56817	15/20	0.60

▸	BACE2	Q9Y5Z0	5/20	0.60

▸	NPY4R	P50391	5/20	0.54

▸	NPY1R	P25929	4/20	0.54

▸	NPY2R	P49146	3/20	0.54

▸	NPY5R	Q15761	2/20	0.51

▸	CTSD	P07339	2/20	0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compound	similarity	top predicted	shared targets
SCHEMBL30445796	0.94	BACE1 (0.54)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30445421	0.94	NTSR2 (0.55)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30445730	0.91	BACE1 (0.53)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30445824	0.91	NTSR2 (0.56)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30445792	0.91	TFPI (0.53)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL31031460	0.89	NPY4R (0.54)	BACE1BACE2NPY4RNPY1RNPY2R
SCHEMBL30578763	0.89	NPY4R (0.59)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30578761	0.89	NPY4R (0.59)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30578759	0.89	NPY4R (0.59)	NPY4RNPY1RNPY2RNPY5R
SCHEMBL30706502	0.88	NPY4R (0.60)	BACE1BACE2NPY4RNPY1RNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-4192843-A1	PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF	Ospedale Pediatrico Bambino Gesù (IT)	2023-06-14	—	—	EP	claimed
EP-4192843-A1	PEPTIDES ABLE TO BIND ANGIOTENSIN-CONVERTING ENZYME 2 (ACE2) AND MEDICAL USES THEREOF	Ospedale Pediatrico Bambino Gesù (IT)	2023-06-14	—	—	EP	disclosed